data_AVS_bmrb_pdb_report_18115 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18115 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Comp_overall_assignment_score _AVS_analysis.Comp_typing_score _AVS_analysis.Comp_SRO_score _AVS_analysis.Comp_1H_shifts_analysis_status _AVS_analysis.Comp_13C_shifts_analysis_status _AVS_analysis.Comp_15N_shifts_analysis_status _AVS_analysis.SRO_rule_break _AVS_analysis.SRO_rule_break_probability _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 60 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE3 > HB2" 0.9970 18115 1 1 1 1 60 LYS . . . . . . "HE3 > HB3" 0.9974 18115 1 stop_ loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Atom_ID _AVS_analysis.Observed_chem_shift _AVS_analysis.Observed_chem_shift_typing _AVS_analysis.Stat_chem_shift_expected _AVS_analysis.Stat_chem_shift_std _AVS_analysis.Stat_chem_shift_chi_sqr _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 60 LYS C 178.057 . 176.64 2 4.7863e-01 18115 1 1 1 1 60 LYS CA 57.147 . 56.95 2.2 9.2865e-01 18115 1 1 1 1 60 LYS CB 30.777 . 32.79 1.78 2.5810e-01 18115 1 1 1 1 60 LYS CG 23.221 . 24.89 1.13 1.3968e-01 18115 1 1 1 1 60 LYS CD 26.938 . 28.96 1.08 6.1176e-02 18115 1 1 1 1 60 LYS CE 40.116 . 41.89 0.82 3.0509e-02 18115 1 1 1 1 60 LYS H 7.733 . 8.19 0.6 4.4626e-01 18115 1 1 1 1 60 LYS HA 3.694 . 4.27 0.44 1.9050e-01 18115 1 1 1 1 60 LYS HB2 1.392 . 1.78 0.25 1.2066e-01 18115 1 1 1 1 60 LYS HB3 1.274 . 1.74 0.27 8.4361e-02 18115 1 1 1 1 60 LYS HG2 0.572 . 1.37 0.26 2.1461e-03 18115 1 1 1 1 60 LYS HG3 0.074 S 1.35 0.28 5.1854e-06 18115 1 1 1 1 60 LYS HD2 0.920 . 1.61 0.22 1.7106e-03 18115 1 1 1 1 60 LYS HD3 0.787 S 1.6 0.22 2.1949e-04 18115 1 1 1 1 60 LYS HE2 1.623 S 2.92 0.19 8.7123e-12 18115 1 1 1 1 60 LYS HE3 1.171 A 2.91 0.2 3.4683e-18 18115 1 1 1 1 60 LYS N 119.034 . 121.05 3.77 5.9282e-01 18115 1 stop_ loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.PRTL_comp_type _AVS_analysis.PRTL_probability_score _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 60 LYS CYS 0.92 18115 1 1 1 1 60 LYS LYS 0.04 18115 1 1 1 1 60 LYS ARG 0.01 18115 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18115 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 18115 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18115 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18115 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18115 _Citation.ID 2 _Citation.Class citation _Citation.PubMed_ID 14872126 _Citation.Full_citation ; Moseley HN, Sahota G, Montelione GT., Assignment validation software suite for the evaluation and presentation of protein resonance assignment data. J Biomol NMR. 28, 341-55 (2004) ; _Citation.Status published _Citation.Type journal save_